TPDB

3D PDB MODEL

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TPDB ID TPDB47577

Peptide_Name

ACE inhibitor

Activity

ACE inhibitors Antihypertensive Neuropeptide

Activity_category_statistics

Cardiometabolic peptides Neuroactive peptides

Database_Source

Peptipedia AHTPDB

Sequence_Type

standard

Has_Modification No

Description A 2-aa standard natural multi-activity (ACE inhibitors, Antihypertensive, and Neuropeptide) peptide sequence curated from Peptipedia and AHTPDB, with an available 3D structural model.

Sequence

DY

FASTA

>TPDB47577|ACE inhibitors;Antihypertensive;Neuropeptide|length=2
DY

Formula C13H16N2O6

Absent Amino Acids ARNCEQGHILKMFPSTWV

Common Amino Acids DY

Mass 296.28

PI 3.10

Basic Residues 0

Acidic Residues 1

Hydrophobic Residues 1

Net Charge -1

Boman Index 0.29

Hydrophobicity -2.400

Aliphatic Index 0.00

Half Life

Mammalian: 1.1 hour Yeast: 3 min E.coli: >10 hour

Extinction Coefficient Cystines 1490

Absorbance 280nm 502.90

Polar Residues 1

number

0

A

0

R

0

N

1

D

0

C

0

E

0

Q

0

G

0

H

0

I

0

L

0

K

0

M

0

F

0

P

0

S

0

T

0

W

1

Y

0

V

Amino Acid Distribution

A: 0 R: 0 N: 0 D: 1 C: 0 E: 0 Q: 0 G: 0 H: 0 I: 0 L: 0 K: 0 M: 0 F: 0 P: 0 S: 0 T: 0 W: 0 Y: 1 V: 0

Length

2

Formula

C13H16N2O6

Mass

296.28

PI

3.10

Net Charge

-1

Boman Index

0.29

Hydrophobicity

-2.400

Chemical_Mass

296.2753

Monoisotopic_Mass

296.1004

Evidence 1 Activity

Activity

Activity Endpoint IC50

Detail Source Activity ACE inhibitors

Activity Measurement 100.00 µM

Function Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)

Detail Activity ACE inhibitor

Activity Code ah

Source & Reference

Database Source NA

Authors Wu J., Aluko R. E., Nakai S.

Title

Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006

Year 2006

Literature Source Journal

Other

Number of Residues 2

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)O InChI=1S/C13H16N2O6/c14-9(6-11(17)18)12(19)15-10(13(20)21)5-7-1-3-8(16)4-2-7/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)/t9-,10-/m0/s1 InChIKey: NALWOULWGHTVDA-UWVGGRQHSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001 Peptide found in bovine collagen hydrolysate: Herregods G., Van Camp J., Morel N., Ghesquière B., Gevaert K., Vercruysse L., Dierckx S., Quanten E., Smagghe G., 2011, Angiotensin I-converting enzyme inhibitory activity of gelatin hydrolysates and identification of bioactive peptides. J. Agric. Food Chem., 59, 552-558 Ion flow regulating peptide according to the BIOPEP-UWM database of bioactive peptides (ID 2749) the EROP-Moscow database Bitter peptide according to the BIOPEP database of sensory peptides and amino acids the ChEMBL database the PubChem database

Evidence 2 Activity

Activity

Activity Endpoint IC50

Detail Source Activity Antihypertensive

Activity Measurement 100.00 µM

Function Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)

Detail Activity ACE inhibitor

Activity Code ah

Source & Reference

Database Source AHTPDB

Authors Wu J., Aluko R. E., Nakai S.

Title

Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006

Year 2006

Literature Source Journal

Other

Source Activity Label	Source Definition
Antihypertensive	AHTPDB manually curated experimentally validated antihypertensive peptide annotation.

Number of Residues 2

Additional Info

BIOPEP-UWM database of bioactive peptides SMILES: N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)O InChI=1S/C13H16N2O6/c14-9(6-11(17)18)12(19)15-10(13(20)21)5-7-1-3-8(16)4-2-7/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)/t9-,10-/m0/s1 InChIKey: NALWOULWGHTVDA-UWVGGRQHSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001 Peptide found in bovine collagen hydrolysate: Herregods G., Van Camp J., Morel N., Ghesquière B., Gevaert K., Vercruysse L., Dierckx S., Quanten E., Smagghe G., 2011, Angiotensin I-converting enzyme inhibitory activity of gelatin hydrolysates and identification of bioactive peptides. J. Agric. Food Chem., 59, 552-558 Ion flow regulating peptide according to the BIOPEP-UWM database of bioactive peptides (ID 2749) the EROP-Moscow database Bitter peptide according to the BIOPEP database of sensory peptides and amino acids the ChEMBL database the PubChem database

Number_of_Residues

2